COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149705
Chemical Name: hydrogen(1-hydroxy-3-{4-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazol-3-ium-3-yl}-1-phosphonopropyl)phosphonate
Smiles: Cc1csc([n+]1CCC(P(=O)(O)O)(P(=O)(O)[O-])O)Nc1ccc(cc1)[N+](=O)[O-]

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Saltdata: 2H2O
Molecular Weight: 453.31
Empirical Formula: C13H17N3O9P2S

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 0
Rotatable bonds: 8
H-donors: 5
H-acceptors: 9
PSA: 247
Number of rings: 2

     

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